1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

C8H12N6 — CID 62743221

IUPAC1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESCc1[nH]cnc1CNCc1ncn[nH]1
InChIInChI=1S/C8H12N6/c1-6-7(11-4-10-6)2-9-3-8-12-5-13-14-8/h4-5,9H,2-3H2,1H3,(H,10,11)(H,12,13,14)
InChIKeyVPDDAERXINZMTD-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.13
Rot. Bonds4

About 1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (PubChem CID 62743221) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
PubChem CID62743221
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESCc1[nH]cnc1CNCc1ncn[nH]1
InChIInChI=1S/C8H12N6/c1-6-7(11-4-10-6)2-9-3-8-12-5-13-14-8/h4-5,9H,2-3H2,1H3,(H,10,11)(H,12,13,14)
InChIKeyVPDDAERXINZMTD-UHFFFAOYSA-N
XLogP0.13
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (CID 62743221) is 1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is Cc1[nH]cnc1CNCc1ncn[nH]1.
What is the InChIKey of 1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The InChIKey is VPDDAERXINZMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-6-7(11-4-10-6)2-9-3-8-12-5-13-14-8/h4-5,9H,2-3H2,1H3,(H,10,11)(H,12,13,14).
What are the key properties of 1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine has a molecular weight of 192.23 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is sourced from PubChem (CID 62743221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).